1-Heptanethiol
TL;DR: 1-Heptanethiol (CAS 1639-09-4) is a chemical compound with molecular formula C7H16S and molecular weight 132.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptane-1-thiol
Also Known As: 1-HEPTANETHIOL, heptane-1-thiol, Heptyl mercaptan, Heptylthiol, n-Heptylmercaptan
| Molecular Formula | C7H16S |
|---|---|
| Molecular Weight | 132.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.09727 |
| Heavy Atoms | 8 |
| Complexity | 35.0 |
| Melting Point | -43.3 °C |
| Boiling Point | 177.2 °C at 760 mmHg |
| Density | 0.84 - Less dense than water; will float |
| Solubility | Insoluble (NIOSH, 2024) |
| Flash Point | 46.1 °C |
| Vapor Pressure | 1.31 [mmHg] |
| Refractive Index | 1.497-1.503 |
Chemical Identifiers
| CAS Number | 1639-09-4 |
|---|---|
| SMILES | CCCCCCCS |
| InChIKey | VPIAKHNXCOTPAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Heptanethiol (CAS 1639-09-4), with molecular formula C7H16S and molecular weight 132.10 g/mol. IUPAC: heptane-1-thiol.
Chemical Property Profile of 1-Heptanethiol
Property Insights of 1-Heptanethiol
The XLogP value of 3.9 indicates that 1-Heptanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 1-Heptanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptanethiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Heptanethiol?
The CAS number of 1-Heptanethiol is 1639-09-4.
What is the molecular formula of 1-Heptanethiol?
The molecular formula of 1-Heptanethiol is C7H16S.
What is the molecular weight of 1-Heptanethiol?
The molecular weight of 1-Heptanethiol is 132.10 g/mol.
Where can I buy 1-Heptanethiol?
You can request a quote for 1-Heptanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.